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1248-43-7 | 1,2-Benzenedicarboxylic acid, 1-octyl 2-(phenylmethyl) ester
CAS No: 1248-43-7 Catalog No: AG000MRX MDL No:
Product Description
Catalog Number:
AG000MRX
Chemical Name:
1,2-Benzenedicarboxylic acid, 1-octyl 2-(phenylmethyl) ester
CAS Number:
1248-43-7
Molecular Formula:
C23H28O4
Molecular Weight:
368.4660
IUPAC Name:
2-O-benzyl 1-O-octyl benzene-1,2-dicarboxylate
InChI:
InChI=1S/C23H28O4/c1-2-3-4-5-6-12-17-26-22(24)20-15-10-11-16-21(20)23(25)27-18-19-13-8-7-9-14-19/h7-11,13-16H,2-6,12,17-18H2,1H3
InChI Key:
WHHSHXMIKFVAEK-UHFFFAOYSA-N
SMILES:
CCCCCCCCOC(=O)c1ccccc1C(=O)OCc1ccccc1
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.199g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
368.473g/mol
Monoisotopic Mass:
368.199g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.1
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